(5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one

C17H23N3O3 — CID 124960687

IUPAC(5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(Cc2cccc(N3C[C@@H](C)OC3=O)n2)CC1
InChIInChI=1S/C17H23N3O3/c1-12-11-20(17(22)23-12)16-5-3-4-15(18-16)10-14-6-8-19(9-7-14)13(2)21/h3-5,12,14H,6-11H2,1-2H3/t12-/m1/s1
InChIKeyGWHXMCPLUMGISY-GFCCVEGCSA-N
MW317.39 g/mol
LogP2.23
Rot. Bonds3

About (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 124960687) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID124960687
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCC(Cc2cccc(N3C[C@@H](C)OC3=O)n2)CC1
InChIInChI=1S/C17H23N3O3/c1-12-11-20(17(22)23-12)16-5-3-4-15(18-16)10-14-6-8-19(9-7-14)13(2)21/h3-5,12,14H,6-11H2,1-2H3/t12-/m1/s1
InChIKeyGWHXMCPLUMGISY-GFCCVEGCSA-N
XLogP2.23
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one (CID 124960687) is (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one is CC(=O)N1CCC(Cc2cccc(N3C[C@@H](C)OC3=O)n2)CC1.
What is the InChIKey of (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is GWHXMCPLUMGISY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-11-20(17(22)23-12)16-5-3-4-15(18-16)10-14-6-8-19(9-7-14)13(2)21/h3-5,12,14H,6-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124960687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).